SCHEMBL4080558

SCHEMBL4080558

CC1(C)C(C(=O)Nc2sc3c(c2C(=O)O)CCNC3)C1(C)C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.67
PTPN2 P17706 4/20 0.67
PTPRC P08575 3/20 0.67
CNR2 P34972 1/20 0.46
CXCR2 P25025 1/20 0.44
PTPRB P23467 2/20 0.42
PTPRE P23469 2/20 0.42
PTPN6 P29350 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ABCC1 P33527 2/20 0.40
ADORA1 P30542 2/20 0.40
APEX1 P27695 1/20 0.40
PTPRA P18433 2/20 0.40
GAA P10253 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4080512 0.84 ADORA1 (0.60) PTPN1PTPN2PTPRCCNR2KMT2A
SCHEMBL13832367 0.83 PTPN1 (0.75) PTPN1PTPN2PTPRCCXCR2PTPRB
SCHEMBL4086799 0.82 PTPN1 (0.63) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL4091622 0.82 PTPN1 (0.63) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL4293286 0.80 PTPN1 (1.00) PTPN1PTPN2PTPRCCXCR2PTPRB
Hydrochloric Acid SCHEMBL20542250 0.79 PTPN1 (0.97) PTPN1PTPN2PTPRCCXCR2PTPRB
SCHEMBL4079889 0.79 PTPN1 (0.66) PTPN1PTPN2PTPRCCNR2PTPRB
SCHEMBL4090461 0.79 CNR2 (0.70) PTPN1PTPN2PTPRCCNR2CXCR2
SCHEMBL4084325 0.75 PTPN1 (0.71) PTPN1PTPN2PTPRCCNR2PTPRB
SCHEMBL8290465 0.73 FLT3 (0.68) PTPN1PTPN2PTPRCMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 US disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 PTPN1 2348/4885PTPN2 2430/4885PTPRC 1716/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.